[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid

C7H6F3N3O3S — CID 23115804

IUPAC[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid
SMILESO=C(O)NCc1cnc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C7H6F3N3O3S/c8-7(9,10)4(14)13-5-11-1-3(17-5)2-12-6(15)16/h1,12H,2H2,(H,15,16)(H,11,13,14)
InChIKeyWHAGCQIFVKIHDW-UHFFFAOYSA-N
MW269.20 g/mol
LogP1.41
Rot. Bonds3

About [2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid

[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid (PubChem CID 23115804) has the molecular formula C7H6F3N3O3S and a molecular weight of 269.20 g/mol. Its IUPAC name is [2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid.

Molecular Properties

Compound Name[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid
PubChem CID23115804
Molecular FormulaC7H6F3N3O3S
Molecular Weight269.20 g/mol
Exact Mass269.01
IUPAC Name[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid
SMILESO=C(O)NCc1cnc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C7H6F3N3O3S/c8-7(9,10)4(14)13-5-11-1-3(17-5)2-12-6(15)16/h1,12H,2H2,(H,15,16)(H,11,13,14)
InChIKeyWHAGCQIFVKIHDW-UHFFFAOYSA-N
XLogP1.41
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17386520
2-[2-[(2,2,2-Trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid
CID 23115832
2,2,2-trifluoro-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 23115861
[5-(Trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87574884
Tert-butyl-[[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methyl]carbamic acid
CID 87871120
N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 87961106
N-[5-[(2-aminoethylamino)methyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 88680398
Tert-butyl({2-[(trifluoroacetyl)amino]-1,3-thiazol-5-yl}methyl)carbamate
CID 90947018
N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 130015249
[(5-Methyl-1,3-thiazol-2-yl)carbamoylamino] 2,2,2-trifluoroacetate
CID 140200212
N-[5-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 178790728
N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate
CID 23115831

Frequently Asked Questions

What is the IUPAC name of [2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid?
The IUPAC name of [2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid (CID 23115804) is [2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid.
What is the SMILES notation for [2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid?
The canonical SMILES for [2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid is O=C(O)NCc1cnc(NC(=O)C(F)(F)F)s1.
What is the InChIKey of [2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid?
The InChIKey is WHAGCQIFVKIHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O3S/c8-7(9,10)4(14)13-5-11-1-3(17-5)2-12-6(15)16/h1,12H,2H2,(H,15,16)(H,11,13,14).
What are the key properties of [2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid?
[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid has a molecular weight of 269.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid is sourced from PubChem (CID 23115804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).